benzyl 4-amino-3,4-diphenylbutanoate

C23H23NO2 — CID 15355049

IUPACbenzyl 4-amino-3,4-diphenylbutanoate
SMILESNC(c1ccccc1)C(CC(=O)OCc1ccccc1)c1ccccc1
InChIInChI=1S/C23H23NO2/c24-23(20-14-8-3-9-15-20)21(19-12-6-2-7-13-19)16-22(25)26-17-18-10-4-1-5-11-18/h1-15,21,23H,16-17,24H2
InChIKeyOVMGJQBSVZTMMH-UHFFFAOYSA-N
MW345.44 g/mol
LogP4.60
Rot. Bonds7

About benzyl 4-amino-3,4-diphenylbutanoate

benzyl 4-amino-3,4-diphenylbutanoate (PubChem CID 15355049) has the molecular formula C23H23NO2 and a molecular weight of 345.44 g/mol. Its IUPAC name is benzyl 4-amino-3,4-diphenylbutanoate.

Molecular Properties

Compound Namebenzyl 4-amino-3,4-diphenylbutanoate
PubChem CID15355049
Molecular FormulaC23H23NO2
Molecular Weight345.44 g/mol
Exact Mass345.17
IUPAC Namebenzyl 4-amino-3,4-diphenylbutanoate
SMILESNC(c1ccccc1)C(CC(=O)OCc1ccccc1)c1ccccc1
InChIInChI=1S/C23H23NO2/c24-23(20-14-8-3-9-15-20)21(19-12-6-2-7-13-19)16-22(25)26-17-18-10-4-1-5-11-18/h1-15,21,23H,16-17,24H2
InChIKeyOVMGJQBSVZTMMH-UHFFFAOYSA-N
XLogP4.60
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(1R,2R)-4-oxo-1,2-diphenyl-4-phenylmethoxybutyl]azanium chloride
CID 11257534
benzyl (2R)-2,3-diamino-3-phenylpropanoate
CID 18653737
benzyl 3-hydroxy-3-phenylpropanoate
CID 15466820
(3-oxo-1-phenyl-3-phenylmethoxypropyl)boronic acid
CID 53255334
dibenzyl 3-hydroxypentanedioate
CID 23067924
benzyl 4-amino-3-methylpentanoate
CID 174893438
benzyl (3S)-5-amino-5-oxo-3-phenylpentanoate
CID 2250347
benzyl (3S)-3-aminopentanoate
CID 89472657
dibenzyl 2-[(1S)-2-nitro-1-phenylethyl]butanedioate
CID 102314373
benzyl 3-hydroxybutanoate
CID 562226
benzyl 3,4-dimethylhexanoate
CID 123356915
benzyl 3-amino-3-cyanopropanoate
CID 77260012

Frequently Asked Questions

What is the IUPAC name of benzyl 4-amino-3,4-diphenylbutanoate?
The IUPAC name of benzyl 4-amino-3,4-diphenylbutanoate (CID 15355049) is benzyl 4-amino-3,4-diphenylbutanoate.
What is the SMILES notation for benzyl 4-amino-3,4-diphenylbutanoate?
The canonical SMILES for benzyl 4-amino-3,4-diphenylbutanoate is NC(c1ccccc1)C(CC(=O)OCc1ccccc1)c1ccccc1.
What is the InChIKey of benzyl 4-amino-3,4-diphenylbutanoate?
The InChIKey is OVMGJQBSVZTMMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO2/c24-23(20-14-8-3-9-15-20)21(19-12-6-2-7-13-19)16-22(25)26-17-18-10-4-1-5-11-18/h1-15,21,23H,16-17,24H2.
What are the key properties of benzyl 4-amino-3,4-diphenylbutanoate?
benzyl 4-amino-3,4-diphenylbutanoate has a molecular weight of 345.44 g/mol, XLogP of 4.60, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-amino-3,4-diphenylbutanoate is sourced from PubChem (CID 15355049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).